| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | EMBL/DESY, HAMBURG |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X11 |
Temperature [K] _diffrn.ambient_temp | 110 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-12 |
Detector _diffrn_detector.type | MAR scanner 300 mm plate |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SHELXL-97 |
Phasing #2 _software.classification | X-PLOR |
Model building #1 _software.classification | SHELXL-97 |
Model building #2 _software.classification | X-PLOR |
Refinement #1 _software.classification | SHELXL-97 |
Refinement #2 _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 72.447 47.812 61.202 90.00 107.24 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.90820 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 15.000 | 0.980 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 0.970 | 0.970 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.pdbx_Rsym_value | 0.025 | 0.245 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 116232 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 54.40 | 4.20 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.5 | 94.3 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.2 | 2.1 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1BYI |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-10-15 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.0 - 0.970 Å |
R _refine.ls_R_factor_obs | 0.1158 WARNING: neither Rwork nor Rfree given |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1DTS |